Dirac-delta function, Expectation values+ mathematical interpretation, Compatible observables, Incompatible observables, Difference between continuous spectra(unbound state) and line/discrete spectra(bound state), one example, including diagrams+ graphs.
This presentation is the introduction to Density Functional Theory, an essential computational approach used by Physicist and Quantum Chemist to study Solid State matter.
Lecture 5: Introduction to Quantum Chemical Simulation graduate course taught at MIT in Fall 2014 by Heather Kulik. This course covers: wavefunction theory, density functional theory, force fields and molecular dynamics and sampling.
This presentation is the introduction to Density Functional Theory, an essential computational approach used by Physicist and Quantum Chemist to study Solid State matter.
Lecture 5: Introduction to Quantum Chemical Simulation graduate course taught at MIT in Fall 2014 by Heather Kulik. This course covers: wavefunction theory, density functional theory, force fields and molecular dynamics and sampling.
CHAPTER 6 Quantum Mechanics II
6.0 Partial differentials
6.1 The Schrödinger Wave Equation
6.2 Expectation Values
6.3 Infinite Square-Well Potential
6.4 Finite Square-Well Potential
6.5 Three-Dimensional Infinite-Potential Well
6.6 Simple Harmonic Oscillator
6.7 Barriers and Tunneling in some books an extra chapter due to its technical importance
origin of quantum physics -
Inadequacy of classical mechanics and birth of QUANTUM PHYSICS
ref: Quantum mechanics: concepts and applications, N. Zettili
My introduction to electron correlation is based on multideterminant methods. I introduce the electron-electron cusp condition, configuration interaction, complete active space self consistent field (CASSCF), and just a little information about perturbation theories. These slides were part of a workshop I organized in 2014 at the University of Pittsburgh and for a guest lecture in a Chemical Engineering course at Pitt.
(This presentation is in .pptx format, and will display well when embedded improperly, such as on the SlideShare site. Please download at your discretion, and be sure to cite your source)
Review of the Hartree-Fock algorithm for the Self-Consistent Field solution of the electronic Schroedinger equation. This talk also serves to highlight some basic points in Quantum Mechanics and Computational Chemistry.
March 21st, 2012
PART V - Continuation of PART III - QM and PART IV - QFT.
I intended to finish with the Hydrogen Atom description and the atomic orbital framework but I deemed the content void of a few important features: the Harmonic Oscillator and an introduction to Electromagnetic Interactions which leads directly to a formulation of the Quantization of the Radiation Field. I could not finish without wrapping it up with a development of Transition Probabilities and Einstein Coefficients which opens up the proof of the Planck distribution law, the photoelectric effect and Higher order electromagnetic interactions. I believe this is the key contribution: making it more understandable up to, but not including, quantum electrodynamics!
CHAPTER 6 Quantum Mechanics II
6.0 Partial differentials
6.1 The Schrödinger Wave Equation
6.2 Expectation Values
6.3 Infinite Square-Well Potential
6.4 Finite Square-Well Potential
6.5 Three-Dimensional Infinite-Potential Well
6.6 Simple Harmonic Oscillator
6.7 Barriers and Tunneling in some books an extra chapter due to its technical importance
origin of quantum physics -
Inadequacy of classical mechanics and birth of QUANTUM PHYSICS
ref: Quantum mechanics: concepts and applications, N. Zettili
My introduction to electron correlation is based on multideterminant methods. I introduce the electron-electron cusp condition, configuration interaction, complete active space self consistent field (CASSCF), and just a little information about perturbation theories. These slides were part of a workshop I organized in 2014 at the University of Pittsburgh and for a guest lecture in a Chemical Engineering course at Pitt.
(This presentation is in .pptx format, and will display well when embedded improperly, such as on the SlideShare site. Please download at your discretion, and be sure to cite your source)
Review of the Hartree-Fock algorithm for the Self-Consistent Field solution of the electronic Schroedinger equation. This talk also serves to highlight some basic points in Quantum Mechanics and Computational Chemistry.
March 21st, 2012
PART V - Continuation of PART III - QM and PART IV - QFT.
I intended to finish with the Hydrogen Atom description and the atomic orbital framework but I deemed the content void of a few important features: the Harmonic Oscillator and an introduction to Electromagnetic Interactions which leads directly to a formulation of the Quantization of the Radiation Field. I could not finish without wrapping it up with a development of Transition Probabilities and Einstein Coefficients which opens up the proof of the Planck distribution law, the photoelectric effect and Higher order electromagnetic interactions. I believe this is the key contribution: making it more understandable up to, but not including, quantum electrodynamics!
An apologytodirac'sreactionforcetheorySergio Prats
This work comments and praises Dirac's work on the reaction force theory, it is based on his 1938 'Classical theory of radiating electrons' paper. Some comments from the author are added.
Concepts and Problems in Quantum Mechanics, Lecture-II By Manmohan DashManmohan Dash
9 problems (part-I and II) and in depth the ideas of Quantum; such as Schrodinger Equation, Philosophy of Quantum reality and Statistical interpretation, Probability Distribution, Basic Operators, Uncertainty Principle.
The Center of Mass Displacement Caused by Field-Charge Interaction Can Solve ...Sergio Prats
This document brings a solution for the "4/3 electromagnetic problem" that shows a discrepancy between the overall momentum for the EM field created by a charged sphere shell and its energy. The solution comes by including a term caused by the charge-field interaction over the sphere (j·E) multiplied by the distance to the center of mass (the center of the charged sphere).
The idea of center of mass displacement on interactions can be applied to other electromagnetic problems, as long as there are particles or systems with some extension, and to other fields of physics.
The Poynting theorem represents the time rate change of electromagnetic energy within a certain volume plus the time rate of energy flowing out through the boundary surface is equal to the power transferred into the electromagnetic field.
This statement follows the conservation of energy in electromagnetism and is known as the Poynting theorem.
Charge Quantization and Magnetic MonopolesArpan Saha
This talk, given as a part of the Annual Seminar Weekend 2011, IIT Bombay, dealt with a homotopy-based
variant of the argument Dirac provided to show that the existence of a single magnetic monopole in the Universe
is a sufficient condition for the quantization of electric charge.
Schrodinger equation and its applications: Chapter 2Dr.Pankaj Khirade
Wave function and its physical significance, Schrodinger time dependent equation, Separation in time dependent and time independent parts, Operators in quantum Mechanics, Eigen functions and Eigen values, Particle in one dimensional and three dimensional box (Energy eigen values). Qualitative analysis of potential barrier Tunneling effect). Simple Harmonic Oscillator (Qualitative analysis of Zero point energy)
Hierarchical Digital Twin of a Naval Power SystemKerry Sado
A hierarchical digital twin of a Naval DC power system has been developed and experimentally verified. Similar to other state-of-the-art digital twins, this technology creates a digital replica of the physical system executed in real-time or faster, which can modify hardware controls. However, its advantage stems from distributing computational efforts by utilizing a hierarchical structure composed of lower-level digital twin blocks and a higher-level system digital twin. Each digital twin block is associated with a physical subsystem of the hardware and communicates with a singular system digital twin, which creates a system-level response. By extracting information from each level of the hierarchy, power system controls of the hardware were reconfigured autonomously. This hierarchical digital twin development offers several advantages over other digital twins, particularly in the field of naval power systems. The hierarchical structure allows for greater computational efficiency and scalability while the ability to autonomously reconfigure hardware controls offers increased flexibility and responsiveness. The hierarchical decomposition and models utilized were well aligned with the physical twin, as indicated by the maximum deviations between the developed digital twin hierarchy and the hardware.
Immunizing Image Classifiers Against Localized Adversary Attacksgerogepatton
This paper addresses the vulnerability of deep learning models, particularly convolutional neural networks
(CNN)s, to adversarial attacks and presents a proactive training technique designed to counter them. We
introduce a novel volumization algorithm, which transforms 2D images into 3D volumetric representations.
When combined with 3D convolution and deep curriculum learning optimization (CLO), itsignificantly improves
the immunity of models against localized universal attacks by up to 40%. We evaluate our proposed approach
using contemporary CNN architectures and the modified Canadian Institute for Advanced Research (CIFAR-10
and CIFAR-100) and ImageNet Large Scale Visual Recognition Challenge (ILSVRC12) datasets, showcasing
accuracy improvements over previous techniques. The results indicate that the combination of the volumetric
input and curriculum learning holds significant promise for mitigating adversarial attacks without necessitating
adversary training.
Hybrid optimization of pumped hydro system and solar- Engr. Abdul-Azeez.pdffxintegritypublishin
Advancements in technology unveil a myriad of electrical and electronic breakthroughs geared towards efficiently harnessing limited resources to meet human energy demands. The optimization of hybrid solar PV panels and pumped hydro energy supply systems plays a pivotal role in utilizing natural resources effectively. This initiative not only benefits humanity but also fosters environmental sustainability. The study investigated the design optimization of these hybrid systems, focusing on understanding solar radiation patterns, identifying geographical influences on solar radiation, formulating a mathematical model for system optimization, and determining the optimal configuration of PV panels and pumped hydro storage. Through a comparative analysis approach and eight weeks of data collection, the study addressed key research questions related to solar radiation patterns and optimal system design. The findings highlighted regions with heightened solar radiation levels, showcasing substantial potential for power generation and emphasizing the system's efficiency. Optimizing system design significantly boosted power generation, promoted renewable energy utilization, and enhanced energy storage capacity. The study underscored the benefits of optimizing hybrid solar PV panels and pumped hydro energy supply systems for sustainable energy usage. Optimizing the design of solar PV panels and pumped hydro energy supply systems as examined across diverse climatic conditions in a developing country, not only enhances power generation but also improves the integration of renewable energy sources and boosts energy storage capacities, particularly beneficial for less economically prosperous regions. Additionally, the study provides valuable insights for advancing energy research in economically viable areas. Recommendations included conducting site-specific assessments, utilizing advanced modeling tools, implementing regular maintenance protocols, and enhancing communication among system components.
Overview of the fundamental roles in Hydropower generation and the components involved in wider Electrical Engineering.
This paper presents the design and construction of hydroelectric dams from the hydrologist’s survey of the valley before construction, all aspects and involved disciplines, fluid dynamics, structural engineering, generation and mains frequency regulation to the very transmission of power through the network in the United Kingdom.
Author: Robbie Edward Sayers
Collaborators and co editors: Charlie Sims and Connor Healey.
(C) 2024 Robbie E. Sayers
2. What is Dirac-delta function?
The Dirac delta function is defined through the
equations:
𝜹 𝒙 − 𝒂 = 𝟎 𝒙 ≠ 𝒂 (1)
= ∞ 𝒙 = 𝒂
−∞
+∞
𝜹 𝒙 − 𝒂 𝒅𝒙 = 𝟏 (2)
Thus the delta function has an infinite value at
𝒙 = 𝒂 such that the area under the curve is unity.
For an arbitrary function that is continuous at
𝒙 = 𝒂,
Syeda Nimra Salamat
3. What are expectation values? Explain it with
mathematical interpretation?
‘In quantum mechanics, the expectation value is the probabilistic expected value
of the result (measurement) of an experiment. It can be thought of as an average
of all the possible outcomes of a measurement as weighted by their likelihood,
and as such it is not the most probable value of a measurement; indeed the
expectation value may have zero probability of occurring.’
For the position x, the expectation value is defined as
This integral can be interpreted as the average value of x that we would expect to
obtain from a large number of measurements.
Syeda Nimra Salamat
4. Alternatively it could be viewed as the average value of position for a large
number of particles which are described by the same wavefunction.
Where
Is the operator of x component
Since the energy of a free particle is given by
and the expectation value for energy becomes
for a particle in one dimension.
Syeda Nimra Salamat
5. In general, the expectation value for any observable quantity is found by
putting the quantum mechanical operator for that observable in the integral of
the wavefunction over space:
Syeda Nimra Salamat
6. Explain compatible observable?
‘When two observables of a system can have sharp values simultaneously,
we say that these two observables are compatible.’
If 𝑭 and 𝑮 observable are compatible that is if there exist a simultaneous set
of eigenfunction of operators F and G , then these operators must commute:
𝑭, 𝑮 = 𝟎
Example;
Momentum and kinetic energy are compatible observables.
Syeda Nimra Salamat
8. Explain incompatible observable?
A crucial difference between classical quantities and quantum mechanical
observables is that the latter may not be simultaneously measurable, a
property referred to as complementarity. This is mathematically expressed by
non-commutativity of the corresponding operators, to the effect that the
commutator.
[𝑨, 𝑩]≔ 𝑨𝑩 − 𝑩𝑨 ≠ 𝟎
This inequality expresses a dependence of measurement results on the order
in which measurements of observables 𝑨 and 𝑩 are performed.
Syeda Nimra Salamat
9. ‘Observables corresponding to non-commutative
operators are called as incompatible observables.’
Incompatible observables cannot have a complete set of common
eigenfunctions. Note that there can be some simultaneous eigenvectors of 𝑨
and 𝑩 ,but not enough in number to constitute a complete basis.
Example;
Position and momentum are incompatible observables.
Syeda Nimra Salamat
11. Write the difference between?
Continuous spectra:
(Unbound state)
1. ‘A continuous spectrum contains
all the wavelengths in a given range
and generates when both adsorption
and emission spectra are put
together.’’
2. It is produced by white light.
3. It is characteristic of white light.
4. There are no dark spaces between
colours.
Discrete/Line spectra:
(Bound state)
1. ‘Discrete spectrum contains only
a few wavelengths and generates
either in adsorption or emission.’’
2. It is produced by vaporization of
salt or gas in discharge tube.
3. It is characteristic of atom.
4. There are dark spaces between
colours.
Syeda Nimra Salamat
13. 5. Unbound states occur in those cases
where the motion of the system is not
confined; a typical example is the free
particle. For the potential displayed in
Figure there are two energy ranges
where the particle’s motion is infinite:
𝑽𝟏 < 𝑬 < 𝑽𝟐 𝒂𝒏𝒅 𝑬 < 𝑽𝟐
5. If the motion of the particle is confined
to a limited region of space by potential
energy so that the particle move back
and forth in the region then the particle
is bound.
6. The motion of the particle is bounded
between the classical turning points x1
and x2 when the particle’s energy lies
between 𝑽𝒎𝒊𝒏 𝒂𝒏𝒅 𝑽𝟏
𝑽𝒎𝒊𝒏 < 𝑬 < 𝑽𝟏
7. The states corresponding to this
energy range are called bound states.
Syeda Nimra Salamat
15. A particle of charge q and mass m which is moving in one dimensional
harmonic potential of frequency is subject to a weak electric potential field
in x-direction
(a) Find the exact expression for the energy?
(b) Calculate the energy to first nonzero correction and compare it
with the exact result obtained in (a)?
a) Find the exact expression for the energy?
The interaction between the oscillating charge and the external electric field gives
rise to a term 𝑯𝑷 = 𝒒𝜺𝑿 that needs to be added to the Hamiltonian of the oscillator:
𝑯 = 𝑯𝟎 + 𝑯𝑷 = −
ℏ
𝟐𝒎
𝒅𝟐
𝒅𝑿𝟐
+
𝟏
𝟐
𝒎𝝎𝟐𝑿𝟐 + 𝒒ℰ𝑿
First, note that the eigen energies of this Hamiltonian can be obtained exactly without
resorting to any perturbative treatment. A variable change 𝒚 = 𝑿 𝒒ℰ
(𝒎𝝎𝟐)
Syeda Nimra Salamat
16. 𝑯 = −
ℏ𝟐
𝟐𝒎
𝒅𝟐
𝒅𝒚𝟐 +
𝟏
𝟐
𝒎𝝎𝟐𝒚𝟐 −
𝒒𝟐𝓔𝟐
𝟐𝒎𝝎𝟐
This is the Hamiltonian of a harmonic oscillator from which a constant,Type equation
here., is subtracted. The exact eigen energies can thus be easily inferred:
Syeda Nimra Salamat